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DyGe2

Alexandria ALEX

Alex-ID: agm002152017 · Space group: Cmcm (#63)

Basic Information

Formula
DyGe2
Alex-ID
agm002152017
Elements
2
Sites
6
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
128.53
ų
Cell a
3.9167
Å
Cell b
4.0809
Å
Cell c
8.2968
Å
α angle
104.26
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyGe2
Ge
4.00 · 66.7%
Dy
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0184
eV/atom
Formation energy
-0.6178
eV/atom
Corrected total energy
-31.3834
eV
Raw total energy
-31.3834
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0179
eV
DOS at Fermi level
2.5624
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_25_spg63

Decomposition

Dy3Ge5 Ge

Computed at

2023-03-25 18:37:12.067016

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002152017).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm002152017
data_agm002152017
_cell_length_a     3.91665
_cell_length_b     4.08092
_cell_length_c     8.29685
_cell_angle_alpha  104.25748
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       128.52840
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Ge1 Ge 0.25000 0.55192 0.10437 1.00000
  Ge2 Ge 0.75000 0.44801 0.89560 1.00000
  Ge3 Ge 0.75000 0.74695 0.49201 1.00000
  Ge4 Ge 0.25000 0.25299 0.50801 1.00000
  Dy1 Dy 0.25000 0.89579 0.79265 1.00000
  Dy2 Dy 0.75000 0.10416 0.20736 1.00000
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